Geometry & MOs

Info

ID:

321354

PubChem CID:

126665855

Reduced:

F2N2O2H10C13 (2)

Stoich.:

A2B2C2D10E13 (2)

Weight, g/mol:

551.194438

ΔHf, kcal/mol:

-201.97

Dipole, Da:

3.55

IP(EA), eV:

 -9.68(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-carbamoylphenyl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC(=CC=C2)N(C(=O)C3=CC(=NN3C4=CC=CC(=C4)CNC(=O)O)C(F)(F)F)F)O

DOS

IR

Vibrations